Structure Database (LMSD)

Common Name
2E,4Z-Heptadien-1-ol
Systematic Name
2E,4Z-Heptadien-1-ol
Synonyms
LM ID
LMFA05000119
Formula
C7H12O
Exact Mass
Calculate m/z
112.088815
Sum Composition
FOH 7:2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty alcohols [FA05]

Reactions

Filter by species:
ⓘ Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
Click on an edge to display the reaction(s).
Reactions graph legend

References

Comments
Pherobase

String Representations

InChiKey (Click to copy)
MDRZSADXFOPYOC-DNVGVPOPSA-N
InChi (Click to copy)
InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h3-6,8H,2,7H2,1H3/b4-3-,6-5+
SMILES (Click to copy)
OC/C=C/C=C\CC

Other Databases

CHEBI ID
188201
PubChem CID
11355460

Calculated Physicochemical Properties

Heavy Atoms 8
Rings 0
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 133.17
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 1.79
Molar Refractivity 36.15

Admin

Created at
-
Updated at
25th Apr 2022